[4-[3-(4-chloranylphenoxy)prop-1-ynyl]-1-methyl-piperidin-1-ium-4-yl] propanoate

Systemtic Name: [4-[3-(4-chloranylphenoxy)prop-1-ynyl]-1-methyl-piperidin-1-ium-4-yl] propanoate Openeye Name: [4-[3-(4-chlorophenoxy)prop-1-ynyl]-1-methyl-piperidin-1-ium-4-yl] propanoate CAS Name: propanoic acid [4-[3-(4-chlorophenoxy)prop-1-ynyl]-1-methyl-4-piperidin-1-iumyl] ester IUPAC Name: [4-[3-(4-chlorophenoxy)prop-1-ynyl]-1-methylpiperidin-1-ium-4-yl] propanoate Traditional Name: propionic acid [4-[3-(4-chlorophenoxy)prop-1-ynyl]-1-methyl-piperidin-1-ium-4-yl] ester Formula: C18H23ClNO3+ MolecularWeight: 336.83312

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1(CC[NH+](CC1)C)C#CCOC2=CC=C(C=C2)Cl

Isomeric SMILES

CCC(=O)OC1(CC[NH+](CC1)C)C#CCOC2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H22ClNO3/c1-3-17(21)23-18(10-12-20(2)13-11-18)9-4-14-22-16-7-5-15(19)6-8-16/h5-8H,3,10-14H2,1-2H3/p+1